CID 44630566

2-iodo-4-methylthiopyrimidine

Structural Information

Molecular Formula
C5H5IN2S
SMILES
CSC1=NC(=NC=C1)I
InChI
InChI=1S/C5H5IN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
GBBQPKKFWLPCFM-UHFFFAOYSA-N
Compound name
2-iodo-4-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.92181 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.92909 133.1
[M+Na]+ 274.91103 139.2
[M+NH4]+ 269.95563 137.9
[M+K]+ 290.88497 134.2
[M-H]- 250.91453 128.8
[M+Na-2H]- 272.89648 127.9
[M]+ 251.92126 132.2
[M]- 251.92236 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe